SCHEMBL8775788

SCHEMBL8775788

O=C(CCCCCCl)OCCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
PAM P19021 2/20 0.41
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
DNM1 Q05193 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
FAAH O00519 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28429625 0.93 DGKA (0.50) DGKAPAMTSHRMAPTLMNA
SCHEMBL23225677 0.93 DGKA (0.50) DGKAPAMTSHRMAPTLMNA
SCHEMBL16285484 0.93 DGKA (0.50) DGKAPAMTSHRMAPTLMNA
SCHEMBL27598653 0.90
SCHEMBL1810800 0.90 DGKA (0.46) DGKAPAMTSHRMAPTLMNA
SCHEMBL21811682 0.85 DGKA (0.43) DGKAPAMTSHRMAPTLMNA
SCHEMBL30864611 0.84 TSHR (0.55) PAMTSHRLMNAALDH1A1MEN1
SCHEMBL21811789 0.84 DGKA (0.54) DGKAPAMTSHRMAPTALDH1A1
SCHEMBL355177 0.82 DGKA (0.69) DGKAPAMTSHRMAPTLMNA
SCHEMBL353797 0.82 DGKA (0.69) DGKAPAMTSHRMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796237-A1 PREPARATION OF PENTENOIC ACID E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-24 EP claimed
WO-1996017817-A1 PREPARATION OF PENTENOIC ACID E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-06-13 WO claimed